COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 O LIG 1 -2.060 -2.182 -0.390 1.00 0.00 O HETATM 2 H LIG 2 -1.025 -1.606 -0.856 1.00 0.00 H HETATM 3 O LIG 1 -3.464 -2.237 1.369 1.00 0.00 O HETATM 4 C LIG 2 0.714 -1.154 -0.035 1.00 0.00 C HETATM 5 H LIG 1 1.831 0.369 2.389 1.00 0.00 H HETATM 6 H LIG 1 -1.969 0.967 -2.283 1.00 0.00 H HETATM 7 C LIG 1 1.126 1.094 1.969 1.00 0.00 C HETATM 8 O LIG 2 -0.007 -1.181 -1.132 1.00 0.00 O HETATM 9 H LIG 1 -4.989 -0.375 0.349 1.00 0.00 H HETATM 10 H LIG 1 -2.699 2.303 -1.361 1.00 0.00 H HETATM 11 C LIG 1 -2.580 1.213 -1.410 1.00 0.00 C HETATM 12 C LIG 2 4.069 -0.342 -1.599 1.00 0.00 C HETATM 13 C LIG 1 -2.852 -0.087 0.649 1.00 0.00 C HETATM 14 H LIG 1 -3.874 -0.466 -1.864 1.00 0.00 H HETATM 15 C LIG 1 -2.763 -1.653 0.549 1.00 0.00 C HETATM 16 C LIG 2 4.444 -1.171 0.641 1.00 0.00 C HETATM 17 C LIG 1 -0.686 1.080 0.195 1.00 0.00 C HETATM 18 C LIG 1 0.038 0.363 1.189 1.00 0.00 C HETATM 19 C LIG 1 -4.222 0.362 0.108 1.00 0.00 C HETATM 20 N LIG 1 -1.912 0.727 -0.174 1.00 0.00 N HETATM 21 H LIG 2 6.020 -0.558 -0.699 1.00 0.00 H HETATM 22 H LIG 1 -0.574 -0.273 1.826 1.00 0.00 H HETATM 23 H LIG 1 -2.716 0.179 1.698 1.00 0.00 H HETATM 24 H LIG 1 -4.704 1.103 -1.922 1.00 0.00 H HETATM 25 C LIG 1 -3.946 0.518 -1.393 1.00 0.00 C HETATM 26 H LIG 1 -4.512 1.325 0.547 1.00 0.00 H HETATM 27 C LIG 2 2.177 -0.964 -0.210 1.00 0.00 C HETATM 28 H LIG 2 2.683 -1.740 1.740 1.00 0.00 H HETATM 29 H LIG 1 0.654 1.585 2.834 1.00 0.00 H HETATM 30 H LIG 2 2.005 -0.280 -2.238 1.00 0.00 H HETATM 31 H LIG 2 0.452 -1.895 0.728 1.00 0.00 H HETATM 32 H LIG 2 4.458 0.020 -2.547 1.00 0.00 H HETATM 33 C LIG 1 0.046 2.140 -0.590 1.00 0.00 C HETATM 34 H LIG 2 5.124 -1.455 1.440 1.00 0.00 H HETATM 35 C LIG 1 1.890 2.144 1.149 1.00 0.00 C HETATM 36 C LIG 2 4.948 -0.672 -0.563 1.00 0.00 C HETATM 37 C LIG 2 3.069 -1.322 0.813 1.00 0.00 C HETATM 38 C LIG 2 2.694 -0.493 -1.427 1.00 0.00 C HETATM 39 H LIG 1 0.669 1.626 -1.338 1.00 0.00 H HETATM 40 C LIG 1 0.933 3.007 0.323 1.00 0.00 C HETATM 41 H LIG 1 -0.651 2.772 -1.145 1.00 0.00 H HETATM 42 H LIG 1 2.596 1.647 0.476 1.00 0.00 H HETATM 43 H LIG 1 0.290 3.600 0.989 1.00 0.00 H HETATM 44 H LIG 1 1.490 3.722 -0.294 1.00 0.00 H HETATM 45 H LIG 1 2.483 2.774 1.822 1.00 0.00 H CONECT 1 15 CONECT 2 8 CONECT 3 15 CONECT 4 8 27 31 CONECT 5 7 CONECT 6 11 CONECT 7 35 18 5 29 CONECT 7 CONECT 8 2 4 CONECT 9 19 CONECT 10 11 CONECT 11 6 25 10 20 CONECT 11 CONECT 12 32 38 36 CONECT 13 20 19 15 23 CONECT 13 CONECT 14 25 CONECT 15 1 13 3 CONECT 16 36 37 34 CONECT 17 33 20 18 CONECT 18 17 22 7 CONECT 19 25 9 26 13 CONECT 19 CONECT 20 11 17 13 CONECT 21 36 CONECT 22 18 CONECT 23 13 CONECT 24 25 CONECT 25 24 14 11 19 CONECT 25 CONECT 26 19 CONECT 27 38 4 37 CONECT 28 37 CONECT 29 7 CONECT 30 38 CONECT 31 4 CONECT 32 12 CONECT 33 39 41 17 40 CONECT 33 CONECT 34 16 CONECT 35 40 42 45 7 CONECT 35 CONECT 36 12 21 16 CONECT 37 27 16 28 CONECT 38 30 12 27 CONECT 39 33 CONECT 40 33 44 43 35 CONECT 40 CONECT 41 33 CONECT 42 35 CONECT 43 40 CONECT 44 40 CONECT 45 35 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END